2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid

C16H17ClN2O3 — CID 154741950

IUPAC2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(Cl)cc2ccc(C)nc12
InChIInChI=1S/C16H17ClN2O3/c1-3-6-19(9-14(20)21)16(22)13-8-12(17)7-11-5-4-10(2)18-15(11)13/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21)
InChIKeyZINHLIIIXYNFSX-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.13
Rot. Bonds5

About 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid

2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid (PubChem CID 154741950) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid
PubChem CID154741950
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(Cl)cc2ccc(C)nc12
InChIInChI=1S/C16H17ClN2O3/c1-3-6-19(9-14(20)21)16(22)13-8-12(17)7-11-5-4-10(2)18-15(11)13/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21)
InChIKeyZINHLIIIXYNFSX-UHFFFAOYSA-N
XLogP3.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dichloro-2-iodobenzoyl)-propylamino]acetic acid
CID 54898475
3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
CID 82577924
2-[(2-chloro-4,5-difluorobenzoyl)-propylamino]acetic acid
CID 61007189
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2,6-dimethyl-N,N-dipropylpyridine-3-carboxamide
CID 87024383
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid (CID 154741950) is 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(Cl)cc2ccc(C)nc12.
What is the InChIKey of 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid?
The InChIKey is ZINHLIIIXYNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-6-19(9-14(20)21)16(22)13-8-12(17)7-11-5-4-10(2)18-15(11)13/h4-5,7-8H,3,6,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid?
2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid has a molecular weight of 320.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 154741950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).